7-fluoro-4-[2-(thiophen-3-ylmethylamino)ethoxy]-1,3-dihydroindol-2-one

C15H15FN2O2S — CID 10662428

IUPAC7-fluoro-4-[2-(thiophen-3-ylmethylamino)ethoxy]-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(OCCNCc3ccsc3)ccc(F)c2N1
InChIInChI=1S/C15H15FN2O2S/c16-12-1-2-13(11-7-14(19)18-15(11)12)20-5-4-17-8-10-3-6-21-9-10/h1-3,6,9,17H,4-5,7-8H2,(H,18,19)
InChIKeyYPZRCWNVQVKPJX-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.55
Rot. Bonds6

About 7-fluoro-4-[2-(thiophen-3-ylmethylamino)ethoxy]-1,3-dihydroindol-2-one

7-fluoro-4-[2-(thiophen-3-ylmethylamino)ethoxy]-1,3-dihydroindol-2-one (PubChem CID 10662428) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is 7-fluoro-4-[2-(thiophen-3-ylmethylamino)ethoxy]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-fluoro-4-[2-(thiophen-3-ylmethylamino)ethoxy]-1,3-dihydroindol-2-one
PubChem CID10662428
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC Name7-fluoro-4-[2-(thiophen-3-ylmethylamino)ethoxy]-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(OCCNCc3ccsc3)ccc(F)c2N1
InChIInChI=1S/C15H15FN2O2S/c16-12-1-2-13(11-7-14(19)18-15(11)12)20-5-4-17-8-10-3-6-21-9-10/h1-3,6,9,17H,4-5,7-8H2,(H,18,19)
InChIKeyYPZRCWNVQVKPJX-UHFFFAOYSA-N
XLogP2.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-Chloro-4-{2-[(thiophen-3-ylmethyl)-amino]-ethoxy}-1,3-dihydro-indol-2-one
CID 9840168
7-Fluoro-4-{2-[(thiophen-2-ylmethyl)-amino]-ethoxy}-1,3-dihydro-indol-2-one
CID 10638352
7-Chloro-4-{2-[(thiophen-2-ylmethyl)-amino]-ethoxy}-1,3-dihydro-indol-2-one
CID 10663658
4-(2-Benzylamino-ethoxy)-7-fluoro-1,3-dihydro-indol-2-one
CID 10732973
4-[2-(Cyclohexylmethyl-amino)-ethoxy]-7-fluoro-1,3-dihydro-indol-2-one
CID 10757042
4-[2-(1,3-Dihydro-isoindol-2-yl)-ethoxy]-7-fluoro-1,3-dihydro-indol-2-one
CID 10638841
4-(2-Amino-ethoxy)-7-fluoro-1,3-dihydro-indol-2-one
CID 10703634
4-(2-Methylamino-ethoxy)-1,3-dihydro-indol-2-one
CID 10822156
2-[(Thiophen-2-ylmethylamino)methyl]-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-8-one
CID 10358395
7-Fluoro-4-[2-(thiophen-2-ylamino)ethoxy]-1,3-dihydroindol-2-one
CID 9900672
7-Fluoro-3-methylsulfanyl-4-[2-(thiophen-3-ylamino)ethoxy]-1,3-dihydroindol-2-one
CID 10131948
7-Fluoro-3-methylsulfanyl-4-[2-(thiophen-3-ylmethylamino)ethoxy]-1,3-dihydroindol-2-one
CID 10665711

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-[2-(thiophen-3-ylmethylamino)ethoxy]-1,3-dihydroindol-2-one?
The IUPAC name of 7-fluoro-4-[2-(thiophen-3-ylmethylamino)ethoxy]-1,3-dihydroindol-2-one (CID 10662428) is 7-fluoro-4-[2-(thiophen-3-ylmethylamino)ethoxy]-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-fluoro-4-[2-(thiophen-3-ylmethylamino)ethoxy]-1,3-dihydroindol-2-one?
The canonical SMILES for 7-fluoro-4-[2-(thiophen-3-ylmethylamino)ethoxy]-1,3-dihydroindol-2-one is O=C1Cc2c(OCCNCc3ccsc3)ccc(F)c2N1.
What is the InChIKey of 7-fluoro-4-[2-(thiophen-3-ylmethylamino)ethoxy]-1,3-dihydroindol-2-one?
The InChIKey is YPZRCWNVQVKPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c16-12-1-2-13(11-7-14(19)18-15(11)12)20-5-4-17-8-10-3-6-21-9-10/h1-3,6,9,17H,4-5,7-8H2,(H,18,19).
What are the key properties of 7-fluoro-4-[2-(thiophen-3-ylmethylamino)ethoxy]-1,3-dihydroindol-2-one?
7-fluoro-4-[2-(thiophen-3-ylmethylamino)ethoxy]-1,3-dihydroindol-2-one has a molecular weight of 306.36 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-[2-(thiophen-3-ylmethylamino)ethoxy]-1,3-dihydroindol-2-one is sourced from PubChem (CID 10662428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).